1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one

C20H30N2O — CID 55584335

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one
SMILESCCCC(C(=O)N1CCN(C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O/c1-2-8-19(17-9-4-3-5-10-17)20(23)22-15-13-21(14-16-22)18-11-6-7-12-18/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3
InChIKeyYRFHUVAURFOYFF-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one

1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one (PubChem CID 55584335) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one
PubChem CID55584335
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one
SMILESCCCC(C(=O)N1CCN(C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O/c1-2-8-19(17-9-4-3-5-10-17)20(23)22-15-13-21(14-16-22)18-11-6-7-12-18/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3
InChIKeyYRFHUVAURFOYFF-UHFFFAOYSA-N
XLogP3.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 111432279
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
4-(2-phenylpentanoyl)piperazine-1-sulfonamide
CID 56786878
3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-methyl-3-phenylpropan-1-one;dihydrochloride
CID 119871606
2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone
CID 119887445
2-benzhydryloxy-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 55583808
5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122120007
(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one
CID 42561059
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one
CID 55334269
1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one
CID 110708879

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one (CID 55584335) is 1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one is CCCC(C(=O)N1CCN(C2CCCC2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one?
The InChIKey is YRFHUVAURFOYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-8-19(17-9-4-3-5-10-17)20(23)22-15-13-21(14-16-22)18-11-6-7-12-18/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one?
1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one has a molecular weight of 314.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one is sourced from PubChem (CID 55584335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).